Xanthochymusside
HIT212525674
sdf文件结构编辑类似物检索
HIT ID: HIT212525674
Cas No: 31654-49-6
分子式: C36H32O16
分子量: 720.636
常用名: Xanthochymusside
氢键受体数 (HBA): 16
氢键供体数 (HBD): 10
LogP: 2.802
IUPAC: (2R,3S)-3-[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC: (2R,3S)-3-[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2[C@H]2[C@@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)cc2)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2[C@H]2[C@@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)cc2)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI key: XGQOXAVFFQEOBL-FKPNAYTDSA-N
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